2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine

C23H26N2O2 — CID 21288727

IUPAC2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(-c2ccc(OCc3ccc(OC)cc3)cc2)nc1
InChIInChI=1S/C23H26N2O2/c1-3-4-5-6-19-15-24-23(25-16-19)20-9-13-22(14-10-20)27-17-18-7-11-21(26-2)12-8-18/h7-16H,3-6,17H2,1-2H3
InChIKeyFZEIGZJCASPEMS-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.46
Rot. Bonds9

About 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine

2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine (PubChem CID 21288727) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
PubChem CID21288727
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(-c2ccc(OCc3ccc(OC)cc3)cc2)nc1
InChIInChI=1S/C23H26N2O2/c1-3-4-5-6-19-15-24-23(25-16-19)20-9-13-22(14-10-20)27-17-18-7-11-21(26-2)12-8-18/h7-16H,3-6,17H2,1-2H3
InChIKeyFZEIGZJCASPEMS-UHFFFAOYSA-N
XLogP5.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757
5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
CID 21288703
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
2-(4-heptylphenyl)-5-[(4-hexylphenyl)methoxy]pyrimidine
CID 19992759
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
CID 19891536
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine (CID 21288727) is 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine is CCCCCc1cnc(-c2ccc(OCc3ccc(OC)cc3)cc2)nc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine?
The InChIKey is FZEIGZJCASPEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-4-5-6-19-15-24-23(25-16-19)20-9-13-22(14-10-20)27-17-18-7-11-21(26-2)12-8-18/h7-16H,3-6,17H2,1-2H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine?
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine has a molecular weight of 362.47 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine is sourced from PubChem (CID 21288727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).